Ab initio molecular orbital and density
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A. M. Mebel; H. L. Lin; S. H. Lin
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Article
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1999
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John Wiley and Sons
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English
β 236 KB
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The structure and energetics of the C H ΠΈ I complex have been studied 6 6 2 1 1.55 eV difference between the vertical and adiabatic excitation energies of 4 AΠ and the dramatic geometry change in the CT state.